[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C(=C3C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C(=C3C)C)C)C

InChI

InChI=1S/C25H31NO5S/c1-16-6-8-22(9-7-16)32(29,30)26-12-10-21(11-13-26)25(28)31-15-24(27)23-14-17(2)18(3)19(4)20(23)5/h6-9,14,21H,10-13,15H2,1-5H3